8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline

C18H15ClF2N6 — CID 126682226

IUPAC8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCC2(F)F)nn1
InChIInChI=1S/C18H15ClF2N6/c1-10-8-26(25-24-10)9-16-23-14-7-22-13-3-2-11(19)6-12(13)17(14)27(16)15-4-5-18(15,20)21/h2-3,6-8,15H,4-5,9H2,1H3
InChIKeyYWZVLAXFIMDGMQ-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.16
Rot. Bonds3

About 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline

8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 126682226) has the molecular formula C18H15ClF2N6 and a molecular weight of 388.81 g/mol. Its IUPAC name is 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID126682226
Molecular FormulaC18H15ClF2N6
Molecular Weight388.81 g/mol
Exact Mass388.10
IUPAC Name8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCC2(F)F)nn1
InChIInChI=1S/C18H15ClF2N6/c1-10-8-26(25-24-10)9-16-23-14-7-22-13-3-2-11(19)6-12(13)17(14)27(16)15-4-5-18(15,20)21/h2-3,6-8,15H,4-5,9H2,1H3
InChIKeyYWZVLAXFIMDGMQ-UHFFFAOYSA-N
XLogP4.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[8-chloro-1-[(4S)-3,3-difluorooxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2-oxazole
CID 142423810
N'-[[8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-yl]methyldiazenyl]ethanimidamide
CID 142423877
[8-chloro-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl-[(Z)-2-diazenyl-3-methoxyprop-1-enyl]azanium
CID 142423787
8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
CID 142423913
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
[8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-yl]methyl-[(Z)-2-diazenylprop-1-enyl]azanium
CID 142423963
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 126712399
[(2S,4R)-4-[8-chloro-2-(3,3-difluorocyclobutyl)imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 146339314
2-[(2R,4S)-4-(8-chloro-2-ethylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423799
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
CID 126666563
2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423887

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline (CID 126682226) is 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline is Cc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCC2(F)F)nn1.
What is the InChIKey of 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is YWZVLAXFIMDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N6/c1-10-8-26(25-24-10)9-16-23-14-7-22-13-3-2-11(19)6-12(13)17(14)27(16)15-4-5-18(15,20)21/h2-3,6-8,15H,4-5,9H2,1H3.
What are the key properties of 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 388.81 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,2-difluorocyclobutyl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 126682226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).